ARTICLE
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doi:10.20944/preprints202405.1404.v1
Subject:
Physical Sciences,
Applied Physics
Keywords:
Crystal structure; Hirshfeld surface analysis; Infrared and Raman spectroscopy; Complex impedance Ac conductivity
Online: 22 May 2024 (00:44:43 CEST)
ARTICLE
|
doi:10.20944/preprints202306.0931.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
biphenol ligands; transition metal complexes; crystal structure; Hirshfeld surfaces; energy frameworks; crystallization solvent
Online: 13 June 2023 (11:02:25 CEST)
ARTICLE
|
doi:10.20944/preprints202208.0069.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
technetium; imidazole; technetyl; XRD-analysis; Hirshfeld surface analysis; π-interactions; met-al-nitrogen bond; supramolecular chemistry
Online: 3 August 2022 (03:29:49 CEST)
SHORT NOTE
|
doi:10.20944/preprints202205.0129.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Bismuth triiodide; thiocarbamate; thione; crystal structure; Hirshfeld analysis
Online: 10 May 2022 (08:44:17 CEST)
ARTICLE
|
doi:10.20944/preprints202111.0430.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Ab initio DFT/B3LYP/6-311G/Auto calculation; hydrazine; Hirshfeld surface; hydrogen interactions; single-crystal X-ray study
Online: 23 November 2021 (15:03:30 CET)
ARTICLE
|
doi:10.20944/preprints202105.0011.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Annocatacin B; ND1 Subunit; Mitochondrial Respiratory Complex I; MRC-I; Molecular Dynamics Simulations; MD; Hirshfeld Charges; MM/PBSA
Online: 3 May 2021 (16:13:49 CEST)
SHORT NOTE
|
doi:10.20944/preprints202309.0671.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Green strategy; One-pot reaction; isoxazoline sulfonate; Ultrasound cavitation; X-ray single-crystal structure analysis; Hydrogen bond; Hirshfeld surface analysis; DFT calculation.
Online: 11 September 2023 (09:58:23 CEST)